Geometry & MOs

Info

ID:	32431
PubChem CID:	7821556
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	388.005133
ΔH_f, kcal/mol:	-196.93
Dipole, Da:	6.27
IP(EA), eV:	-9.33(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,6-dichloro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CN2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations